4-(pyridin-3-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

Systemtic Name: 4-(pyridin-3-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Openeye Name: 4-(3-pyridylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one CAS Name: 4-(3-pyridinylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one IUPAC Name: 4-(pyridin-3-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Traditional Name: 4-(3-pyridylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=O)N=C2SCC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(C1)NC(=O)N=C2SCC3=CN=CC=C3

InChI

InChI=1S/C13H13N3OS/c17-13-15-11-5-1-4-10(11)12(16-13)18-8-9-3-2-6-14-7-9/h2-3,6-7H,1,4-5,8H2,(H,15,16,17)